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4-[2,3-di(octan-4-yl)phenoxy]carbonylbenzoic acid

4-[2,3-di(octan-4-yl)phenoxy]carbonylbenzoic acid

Systemtic Name:4-[2,3-di(octan-4-yl)phenoxy]carbonylbenzoic acid
Openeye Name:4-[2,3-bis(1-propylpentyl)phenoxy]carbonylbenzoic acid
CAS Name:4-[[2,3-di(octan-4-yl)phenoxy]-oxomethyl]benzoic acid
IUPAC Name:4-[2,3-di(octan-4-yl)phenoxy]carbonylbenzoic acid
Traditional Name:4-[2,3-bis(1-propylpentyl)phenoxy]carbonylbenzoic acid
Formula: C30H42O4
MolecularWeight: 466.65208
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=C(C(=CC=C1)OC(=O)C2=CC=C(C=C2)C(=O)O)C(CCC)CCCC


Isomeric SMILES

CCCCC(CCC)C1=C(C(=CC=C1)OC(=O)C2=CC=C(C=C2)C(=O)O)C(CCC)CCCC


InChI

InChI=1S/C30H42O4/c1-5-9-14-22(12-7-3)26-16-11-17-27(28(26)23(13-8-4)15-10-6-2)34-30(33)25-20-18-24(19-21-25)29(31)32/h11,16-23H,5-10,12-15H2,1-4H3,(H,31,32)


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